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Home > Boronic Acids > 1423-27-4
1423-27-4 | Boronic acid, B-[2-(trifluoromethyl)phenyl]-
CAS No: 1423-27-4 Catalog No: AG001I5H MDL No:MFCD00236059
Product Description
Catalog Number:
AG001I5H
Chemical Name:
Boronic acid, B-[2-(trifluoromethyl)phenyl]-
CAS Number:
1423-27-4
Molecular Formula:
C7H6BF3O2
Molecular Weight:
189.9275
MDL Number:
MFCD00236059
IUPAC Name:
[2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H
InChI Key:
JNSBEPKGFVENFS-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1C(F)(F)F)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.928g/mol
Monoisotopic Mass:
190.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. | Journal of medicinal chemistry 20081127 |
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